Isonicotinic-d4 Acid | CAS 53907-55-4

OVERVIEW
Isonicotinic-d₄ acid is a deuterium-labeled analog of isonicotinic acid, a pyridine derivative widely known for its role in the synthesis of pharmaceuticals and biochemical intermediates. In this isotopically enriched form, four hydrogen atoms of the aromatic ring are replaced by deuterium, resulting in a +4 Da molecular mass shift while retaining the original structure and reactivity of isonicotinic acid. This makes it an ideal stable isotope-labeled compound for use in analytical chemistry, mass spectrometry, and metabolic tracing studies.

Isonicotinic-d₄ acid is frequently employed in pharmaceutical research, particularly in studies related to isoniazid and other nicotinate-based drug metabolism pathways. Its deuterium incorporation enhances analytical differentiation without altering chemical behavior, enabling researchers to precisely track reactions, determine isotopic distributions, and quantify trace levels of related compounds in biological or synthetic samples.

CHEMICAL INFORMATION

• Name: Isonicotinic-d₄ acid

• Molecular Formula: C₆D₄NO₂

• Molecular Weight: 127.14 g/mol

• CAS Number: 53907-55-4

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated heteroaromatic carboxylic acid; stable isotope-labeled nicotinic acid analog

• Stability: Chemically stable under ambient conditions; non-hygroscopic

APPLICATIONS  of  Isonicotinic-d4 Acid | CAS 53907-55-4

• Analytical Chemistry & Mass Spectrometry:
  Isonicotinic-d₄ acid serves as an internal standard for quantifying isonicotinic acid and related metabolites via LC-MS or GC-MS. Its isotopic labeling allows for accurate differentiation between native and labeled species, improving quantitation precision.

• Pharmaceutical and Biochemical Research:
  Extensively used in the development and metabolism studies of isoniazid and its analogs, as well as in research related to nicotinic acid derivatives and pyridine-containing drugs.

• Isotopic Tracing Studies:
  Used to trace reaction pathways and understand metabolic transformations of nicotinic acid derivatives in biological systems. The deuterium labeling facilitates the study of reaction kinetics and isotope effects.

• Calibration and Reference Standard:
  Functions as a stable and reliable calibration compound in analytical laboratories for the quantification of isonicotinic acid or its derivatives in pharmaceutical formulations and biological samples.

• Synthetic Chemistry Applications:
  Acts as an isotopically labeled precursor for the synthesis of other deuterated pyridine-based compounds and intermediates used in medicinal chemistry.

ADVANTAGES  of  Isonicotinic-d4 Acid | CAS 53907-55-4

• High isotopic purity ensures consistency and analytical accuracy.

• Maintains the same chemical properties as isonicotinic acid, allowing direct substitution in studies.

• Enhances mass spectrometric resolution and quantitative reliability.

• Non-radioactive, environmentally safe, and easy to handle.

• Suitable for pharmaceutical, nutritional, and environmental research.

HANDLING

• Hazards: Low toxicity; may cause mild irritation upon prolonged contact or inhalation.

• Precautions: Avoid dust formation and contact with eyes or skin. Use gloves, goggles, and standard lab attire.

• Storage: Keep tightly sealed in a cool, dry place away from light and moisture.

• Disposal: Dispose of according to local chemical waste regulations; compound is non-hazardous but should not be released into the environment.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.5 %

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, LC-MS, and IR spectroscopy

• Appearance: White crystalline solid

• COA Availability: Each batch supplied with a Certificate of Analysis verifying isotopic enrichment and chemical purity

SUMMARY
Isonicotinic-d₄ acid (CAS 53907-55-4) is a highly pure, deuterium-labeled form of isonicotinic acid used extensively as a stable isotope-labeled internal standard and tracer compound. Its structural and chemical identity with the non-labeled analog makes it indispensable for analytical, pharmacokinetic, and synthetic research. By providing enhanced accuracy in isotopic quantification and mechanistic studies, this compound serves as a valuable tool in modern analytical chemistry and pharmaceutical development.